Geometry

Info

ID:

6558

ICSD:

39817

Name:

Iron hexachlorohafnate

Comp.:

Cl6Fe1Hf1

Symm.:

 P-31c(163)

Latt.:

 hexagonal

Spin:

 7.604

Eg/Eg':

2.872/None eV

me/mh:

127.557/-64.238

K-data

high symmetry path:

G - A - L - M - G - K - H - A

high symmetry points:

A: 0.0 0.0 0.5 G: 0.0 0.0 0.0 H: -0.333 0.667 0.5 K: -0.333 0.667 0.0 M: 0.0 0.5 0.0 L: 0.0 0.5 0.5

DOS

Bands